4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]cyclohexane-1-carboxamide

C16H23FN2O — CID 79527625

IUPAC4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]cyclohexane-1-carboxamide
SMILESCC(NC(=O)C1CCC(CN)CC1)c1ccccc1F
InChIInChI=1S/C16H23FN2O/c1-11(14-4-2-3-5-15(14)17)19-16(20)13-8-6-12(10-18)7-9-13/h2-5,11-13H,6-10,18H2,1H3,(H,19,20)
InChIKeyFNQQHZKFTYDPMP-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.77
Rot. Bonds4

About 4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]cyclohexane-1-carboxamide

4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]cyclohexane-1-carboxamide (PubChem CID 79527625) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]cyclohexane-1-carboxamide
PubChem CID79527625
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]cyclohexane-1-carboxamide
SMILESCC(NC(=O)C1CCC(CN)CC1)c1ccccc1F
InChIInChI=1S/C16H23FN2O/c1-11(14-4-2-3-5-15(14)17)19-16(20)13-8-6-12(10-18)7-9-13/h2-5,11-13H,6-10,18H2,1H3,(H,19,20)
InChIKeyFNQQHZKFTYDPMP-UHFFFAOYSA-N
XLogP2.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-[(1S)-1-(2-bromophenyl)ethyl]cyclohexane-1-carboxamide
CID 81397693
4-(aminomethyl)-N-[1-(3-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 79526822
4-(aminomethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 81361448
2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81377637
N-[1-(2-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 74271464
2-cyclopentyl-N-[(1R)-1-(2-fluorophenyl)ethyl]acetamide
CID 51968745
N-[1-(2-bromophenyl)ethyl]cyclopropanecarboxamide
CID 18111915
N-[(1R)-1-(2-bromophenyl)ethyl]cyclopropanecarboxamide
CID 9220068
3-(cyclopropylamino)-N-[1-(2-fluorophenyl)ethyl]propanamide
CID 54862156
1-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-4-methylcyclohexane-1-carboxamide
CID 115441667
N-[1-(2-aminophenyl)ethyl]cyclopentanecarboxamide
CID 43297876
ethyl 2-[1-(2-fluorophenyl)ethylamino]-2-oxoacetate
CID 54964438

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]cyclohexane-1-carboxamide (CID 79527625) is 4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]cyclohexane-1-carboxamide is CC(NC(=O)C1CCC(CN)CC1)c1ccccc1F.
What is the InChIKey of 4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is FNQQHZKFTYDPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-11(14-4-2-3-5-15(14)17)19-16(20)13-8-6-12(10-18)7-9-13/h2-5,11-13H,6-10,18H2,1H3,(H,19,20).
What are the key properties of 4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]cyclohexane-1-carboxamide?
4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 278.37 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 79527625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).